3-(2,4-dimethylphenyl)-1-prop-2-enyl-7H-purine-2,6-dione

Systemtic Name: 3-(2,4-dimethylphenyl)-1-prop-2-enyl-7H-purine-2,6-dione Openeye Name: 1-allyl-3-(2,4-dimethylphenyl)-7H-purine-2,6-dione CAS Name: 3-(2,4-dimethylphenyl)-1-prop-2-enyl-7H-purine-2,6-dione IUPAC Name: 3-(2,4-dimethylphenyl)-1-prop-2-enyl-7H-purine-2,6-dione Traditional Name: 1-allyl-3-(2,4-dimethylphenyl)-7H-purine-2,6-quinone Formula: C16H16N4O2 MolecularWeight: 296.32384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C3=C(C(=O)N(C2=O)CC=C)NC=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C3=C(C(=O)N(C2=O)CC=C)NC=N3)C

InChI

InChI=1S/C16H16N4O2/c1-4-7-19-15(21)13-14(18-9-17-13)20(16(19)22)12-6-5-10(2)8-11(12)3/h4-6,8-9H,1,7H2,2-3H3,(H,17,18)